4-[2-[3,6-di(propan-2-yl)pyrazin-2-yl]pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[2-[3,6-di(propan-2-yl)pyrazin-2-yl]pyrrol-2-yl]benzoic acid Openeye Name: 4-[2-(3,6-diisopropylpyrazin-2-yl)pyrrol-2-yl]benzoic acid CAS Name: 4-[2-[3,6-di(propan-2-yl)-2-pyrazinyl]-2-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[3,6-di(propan-2-yl)pyrazin-2-yl]pyrrol-2-yl]benzoic acid Traditional Name: 4-[2-(3,6-diisopropylpyrazin-2-yl)pyrrol-2-yl]benzoic acid Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN=C(C(=N1)C2(C=CC=N2)C3=CC=C(C=C3)C(=O)O)C(C)C

Isomeric SMILES

CC(C)C1=CN=C(C(=N1)C2(C=CC=N2)C3=CC=C(C=C3)C(=O)O)C(C)C

InChI

InChI=1S/C21H23N3O2/c1-13(2)17-12-22-18(14(3)4)19(24-17)21(10-5-11-23-21)16-8-6-15(7-9-16)20(25)26/h5-14H,1-4H3,(H,25,26)